CID 150001

82585-98-6

Structural Information

Molecular Formula
C16H15Cl2N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC(=C(C=C3)Cl)Cl)N
InChI
InChI=1S/C16H15Cl2N5O2/c1-2-25-16(24)23-13-6-11-14(15(19)22-13)21-12(7-20-11)8-3-4-9(17)10(18)5-8/h3-6,20H,2,7H2,1H3,(H3,19,22,23,24)
InChIKey
RYXHPKXJBBAPCB-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(3,4-dichlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.06027 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06755 184.2
[M+Na]+ 402.04949 193.5
[M-H]- 378.05299 185.7
[M+NH4]+ 397.09409 193.3
[M+K]+ 418.02343 186.0
[M+H-H2O]+ 362.05753 175.4
[M+HCOO]- 424.05847 192.0
[M+CH3COO]- 438.07412 192.5
[M+Na-2H]- 400.03494 187.3
[M]+ 379.05972 185.6
[M]- 379.06082 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.